SCHEMBL4941557

SCHEMBL4941557

O=C(OCCC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)Cc2cccc(Cl)c2Cl)CCO1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.39
TACR1 P25103 2/20 0.39
CNR2 P34972 1/20 0.36
KMT2A Q03164 1/20 0.35
TACR3 P29371 1/20 0.35
RAB9A P51151 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4941446 0.92 TACR2 (0.40) TACR2TACR1KMT2ATACR3
SCHEMBL4630770 0.88 KMT2A (0.41) TACR2TACR1KMT2A
SCHEMBL6665548 0.87 KMT2A (0.40) TACR2TACR1KMT2A
SCHEMBL6666806 0.86 TACR2 (0.40) TACR2TACR1KMT2A
SCHEMBL4631761 0.86 TACR2 (0.49) TACR2TACR1TACR3
SCHEMBL6661500 0.85 KMT2A (0.38) TACR2TACR1KMT2A
SCHEMBL4940368 0.81 KMT2A (0.40) TACR2TACR1CNR2KMT2ATACR3
SCHEMBL4941690 0.76 KDM4E (0.44) TACR2KMT2A
SCHEMBL6192006 0.75 KMT2A (0.41) TACR2TACR1CNR2KMT2ATACR3
SCHEMBL4630697 0.74 TACR2 (0.50) TACR2TACR1TACR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-09-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TACR2, TACR1, KIT TACR2 1/4885TACR1 2/4885CNR2 28/4885
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same KIT, TACR2, P2RX3 TACR2 2/4885TACR1 4/4885CNR2 25/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.